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PolyatomicComplexes
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Name
Complexity
Churn
Issues
A
polyatomic_complexes\src\complexes\atomic_complex.py
35 2 -
A
polyatomic_complexes\src\complexes\build_atom_lookup.py
2 2 1
A
polyatomic_complexes\src\complexes\building_blocks.py
6 1 -
A
polyatomic_complexes\src\complexes\core_utils.py
30 1 -
A
polyatomic_complexes\src\complexes\force_complex.py
12 2 -
A
polyatomic_complexes\src\complexes\general_utils.py
29 3 1
A
polyatomic_complexes\src\complexes\polyatomic_complex.py
23 3 3
A
polyatomic_complexes\src\complexes\polyatomic_complex_cls.py
0 1 -
A
polyatomic_complexes\src\complexes\polyatomic_geometry.py
11 2 1
A
polyatomic_complexes\src\complexes\quantum_complex.py
43 2 1
A
polyatomic_complexes\src\complexes\quantum_theor_complex.py
82 2 1
A
polyatomic_complexes\src\complexes\space_utils.py
39 3 2
A
polyatomic_complexes\src\experiment\__init__.py
 1 -
A
polyatomic_complexes\src\experiment\process_esol.py
8 1 -
A
polyatomic_complexes\src\experiment\process_freesolv.py
8 1 -
A
polyatomic_complexes\src\experiment\process_lipophilicity.py
8 1 -
A
polyatomic_complexes\src\experiment\process_materials_project.py
7 1 -
A
polyatomic_complexes\src\experiment\process_mp_jdft2d.py
6 1 -
A
polyatomic_complexes\src\experiment\process_photoswitches.py
8 1 -
A
polyatomic_complexes\tests\test_atoms.py
7 1 -